SCHEMBL28967232

SCHEMBL28967232

CC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 6/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MDM4 O15151 1/20 0.49
MDM2 Q00987 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
SLC6A9 P48067 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17690718 0.90 NPSR1 (0.57) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL9844038 0.85 ALDH1A1 (0.60) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL28845306 0.85 TSHR (0.64) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL9843976 0.81 NPSR1 (0.77) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL14263838 0.79 TSHR (0.66) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL9844424 0.79 NPSR1 (0.56) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL22525971 0.77 NPSR1 (0.55) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL27935595 0.77 NPSR1 (0.55) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL9754281 0.77 TSHR (0.62) TSHRALDH1A1KMT2AHPGDNPSR1
SCHEMBL5834057 0.77 TSHR (0.62) TSHRALDH1A1KMT2AHPGDNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 CN disclosed